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PR · Lens · Amentoflavone, New Hope against SARS-CoV-2: An Outlook through its Scientific Records and an in silico Study

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Article · Volume 13, Issue 3 · pp. 149-157

Amentoflavone, New Hope against SARS-CoV-2: An Outlook through its Scientific Records and an in silico Study

Rajib Hossain1, Muhammad Torequl Islam1, Pranta Ray2, Divya Jain3, Abu Saim Mohammad Saikat4, Lutfun Nahar5, Anupam Das Talukdar6, Satyajit Sarker7, Seyed Abdulmajid Ayatollahi8, Miquel Martorell9, Farzad Kobarfard9, Natália Cruz Martins9, Khattab Al-Khafaji9, Anca Oana Docea9, Daniela Calina9, Javad Sharifi-Rad9

  1. 1Department of Pharmacy, Life Science Faculty, Bangabandhu Sheikh Mujibur Rahman Science and Technology University, Gopalganj, Dhaka, BANGLADESH.
  2. 2Department of Biomedical Engineering, Huazhong University of Science and Technology, Wuhan, CHINA.
  3. 3Department of Bioscience and Biotechnology, Banasthali Vidyapith, Rajasthan, INDIA.
  4. 4Department of Biochemistry and Molecular Biology, Bangabandhu Sheikh Mujibur Rahman Science and Technology University, Gopalganj, BANGLADESH.
  5. 5Faculty of Science, Liverpool John Moores University, Liverpool L33AF, England, UK.
  6. 6Ethnobotany and Natural product Research Laboratory, Department of Life Science and Bioinformatics, Assam University, Silchar-11, Assam, INDIA.
  7. 7School of Pharmacy and Biomolecular Sciences, Liverpool John Moores University, Liverpool L3 3AF, England, UK.
  8. 8Phytochemistry Research Center, Shahid Beheshti University of Medical Sciences, Tehran,, IRAN., 9Department of Pharmacognosy and Biotechnology, School of Pharmacy, Shahid Beheshti University of Medical Sciences, Tehran, IRAN.
  9. 9Department of Nutrition and Dietetics, Faculty of Pharmacy, and Centre for Healthy Living, University of Concepción, Concepción, CHILE.

Abstract

Background: The plant-derived bioflavonoid amentoflavone has many important biological activities, among them remarkable antiviral effects, even against severe acute respiratory syndrome Coronavirus (SARS-CoV). It inhibits severe acute respiratory syndrome coronavirus (SARS-CoV) with an IC50 value of 8.3 μM. TMPRSS-2 activity is now thought to be the only factor necessary for cell entry and viral pathogenesis). In comparison, 3CLPRO is needed for COVID-19 replication and maturation during its life cycle.Aim: This study aims to perform an in silico study on amentoflavone activity against structural and non-structural severe acute respiratory syndrome coronavirus (SARS-CoV)-2 3-chymotrypsin-like protease (3CLPRO) and human transmembrane protease serine 2 (TMPRSS-2) proteins.Materials and Methods: Molecular docking studies were carried out using compounds against 3CLPRO and TMPRSS-2 proteins through the Swiss model, Uniport, PROCHECK, Swiss PDB viewer, PyMol, PyRx, and Desmond (Schrödinger package) computerized software.Results: Amentoflavone showed strong interactions -9.5 and -7.4 kcal/mol with 3CLPRO and TMPRSS2 proteins, respectively. In any case, it had higher binding affinities than currently approved antiviral drugs, which are underutilized in coronavirus disease (COVID-19).Conclusion: Amentoflavone may be one of the potential leads (drug candidate) to fight human coronavirus, including SARS-CoV-2. Further in vivo studies are needed to support the findings of this study.

Keywords: 3CLPRO; Amentoflavone; Antiviral potential; COVID-19; Molecular docking; Phenolic compounds; SARS-CoV-2; TMPRSS-2

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